2-chloro-1-fluoro-3-methyl-4-methylsulfanylbenzene

C8H8ClFS — CID 67285218

IUPAC2-chloro-1-fluoro-3-methyl-4-methylsulfanylbenzene
SMILESCSc1ccc(F)c(Cl)c1C
InChIInChI=1S/C8H8ClFS/c1-5-7(11-2)4-3-6(10)8(5)9/h3-4H,1-2H3
InChIKeyGZUSXGBYBVKKFA-UHFFFAOYSA-N
MW190.67 g/mol
LogP3.51
Rot. Bonds1

About 2-chloro-1-fluoro-3-methyl-4-methylsulfanylbenzene

2-chloro-1-fluoro-3-methyl-4-methylsulfanylbenzene (PubChem CID 67285218) has the molecular formula C8H8ClFS and a molecular weight of 190.67 g/mol. Its IUPAC name is 2-chloro-1-fluoro-3-methyl-4-methylsulfanylbenzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-3-methyl-4-methylsulfanylbenzene
PubChem CID67285218
Molecular FormulaC8H8ClFS
Molecular Weight190.67 g/mol
Exact Mass190.00
IUPAC Name2-chloro-1-fluoro-3-methyl-4-methylsulfanylbenzene
SMILESCSc1ccc(F)c(Cl)c1C
InChIInChI=1S/C8H8ClFS/c1-5-7(11-2)4-3-6(10)8(5)9/h3-4H,1-2H3
InChIKeyGZUSXGBYBVKKFA-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-3-methyl-4-methylsulfanylbenzene?
The IUPAC name of 2-chloro-1-fluoro-3-methyl-4-methylsulfanylbenzene (CID 67285218) is 2-chloro-1-fluoro-3-methyl-4-methylsulfanylbenzene.
What is the SMILES notation for 2-chloro-1-fluoro-3-methyl-4-methylsulfanylbenzene?
The canonical SMILES for 2-chloro-1-fluoro-3-methyl-4-methylsulfanylbenzene is CSc1ccc(F)c(Cl)c1C.
What is the InChIKey of 2-chloro-1-fluoro-3-methyl-4-methylsulfanylbenzene?
The InChIKey is GZUSXGBYBVKKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFS/c1-5-7(11-2)4-3-6(10)8(5)9/h3-4H,1-2H3.
What are the key properties of 2-chloro-1-fluoro-3-methyl-4-methylsulfanylbenzene?
2-chloro-1-fluoro-3-methyl-4-methylsulfanylbenzene has a molecular weight of 190.67 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-3-methyl-4-methylsulfanylbenzene is sourced from PubChem (CID 67285218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).